[5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-3-yl) carbonate

Systemtic Name: [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-3-yl) carbonate Openeye Name: [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenyl-3-pyridyl) carbonate CAS Name: carbonic acid [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenyl-3-pyridinyl) ester IUPAC Name: [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-3-yl) carbonate Traditional Name: carbonic acid [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenyl-3-pyridyl) ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1COC(=O)OC2=C(N=CC=C2)C3=CC=CC=C3)CC4CCCCC4

Isomeric SMILES

CCCCC1=NC(=NN1COC(=O)OC2=C(N=CC=C2)C3=CC=CC=C3)CC4CCCCC4

InChI

InChI=1S/C26H32N4O3/c1-2-3-16-24-28-23(18-20-11-6-4-7-12-20)29-30(24)19-32-26(31)33-22-15-10-17-27-25(22)21-13-8-5-9-14-21/h5,8-10,13-15,17,20H,2-4,6-7,11-12,16,18-19H2,1H3